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ASINEX-ZINC04969105

 MMsINC code: MMs00418160
Type: Neutral
Formula: C14H26N2O2
SMILES:   O1CCCC1CNCC(=O)N1CCCCC1CC
InChI:   InChI=1/C14H26N2O2/c1-2-12-6-3-4-8-16(12)14(17)11-15-10-13-7-5-9-18-13/h12-13,15H,2-11H2,1H3/t12-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=80.339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.374 g/mol  logS: -1.40221  SlogP: 1.5461  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0419363  Sterimol/B1: 2.50786  Sterimol/B2: 3.01788  Sterimol/B3: 3.3885
  Sterimol/B4: 7.66649  Sterimol/L: 15.4011 
 
 Surface and Volume Properties
  Accessible surface: 525.521  Positive charged surface: 434.559  Negative charged surface: 90.9613  Volume: 270.5
  Hydrophobic surface: 454.123  Hydrophilic surface: 71.398
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.